3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide

C15H7BrClN3O — CID 103990852

IUPAC3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(Br)c2Cl)cc1C#N
InChIInChI=1S/C15H7BrClN3O/c16-13-3-1-2-12(14(13)17)15(21)20-11-5-4-9(7-18)10(6-11)8-19/h1-6H,(H,20,21)
InChIKeyXELJJMWPPMZYGN-UHFFFAOYSA-N
MW360.60 g/mol
LogP4.10
Rot. Bonds2

About 3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide

3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide (PubChem CID 103990852) has the molecular formula C15H7BrClN3O and a molecular weight of 360.60 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide
PubChem CID103990852
Molecular FormulaC15H7BrClN3O
Molecular Weight360.60 g/mol
Exact Mass358.95
IUPAC Name3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(Br)c2Cl)cc1C#N
InChIInChI=1S/C15H7BrClN3O/c16-13-3-1-2-12(14(13)17)15(21)20-11-5-4-9(7-18)10(6-11)8-19/h1-6H,(H,20,21)
InChIKeyXELJJMWPPMZYGN-UHFFFAOYSA-N
XLogP4.10
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.60
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3,4-dicyanophenyl)-2-fluorobenzamide
CID 103774874
3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide
CID 113402951
3-bromo-2-chloro-N-(4-nitrophenyl)benzamide
CID 103977639
2-amino-5-chloro-N-(3,4-dicyanophenyl)benzamide
CID 107786836
2-bromo-N-(3,4-dicyanophenyl)-5-sulfanylbenzamide
CID 107794539
2-amino-N-(3,4-dicyanophenyl)-3-methylbenzamide
CID 107786827
3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide
CID 107791028
N-(3,4-dicyanophenyl)-2-(methylamino)benzamide
CID 107791441
3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide
CID 103988954
2-bromo-4-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 103763591
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371
N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 104880179

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide (CID 103990852) is 3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide is N#Cc1ccc(NC(=O)c2cccc(Br)c2Cl)cc1C#N.
What is the InChIKey of 3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide?
The InChIKey is XELJJMWPPMZYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrClN3O/c16-13-3-1-2-12(14(13)17)15(21)20-11-5-4-9(7-18)10(6-11)8-19/h1-6H,(H,20,21).
What are the key properties of 3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide?
3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide has a molecular weight of 360.60 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide is sourced from PubChem (CID 103990852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).